Found 50 hits of ki data for polymerid = 6539 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50376815
(CHEMBL259563)Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1cccc2ccccc12 |w:16.24| Show InChI InChI=1S/C31H34N2O/c1-5-21-13-9-14-22(6-2)30(21)26-20-29(34-4)31-25(32-26)17-11-19-28(31)33(3)27-18-10-15-23-12-7-8-16-24(23)27/h7-10,12-16,18,20,28H,5-6,11,17,19H2,1-4H3 | PDB
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| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson PRD
Curated by ChEMBL
| Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells |
Bioorg Med Chem Lett 18: 2544-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50376793
(CHEMBL259769)Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1c(CC)cccc1CC)c1cccc2ccccc12 |w:3.2| Show InChI InChI=1S/C32H36N2O/c1-5-22-14-10-15-23(6-2)31(22)27-21-30(35-4)32-26(33-27)18-12-20-29(32)34(7-3)28-19-11-16-24-13-8-9-17-25(24)28/h8-11,13-17,19,21,29H,5-7,12,18,20H2,1-4H3 | PDB
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| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson PRD
Curated by ChEMBL
| Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells |
Bioorg Med Chem Lett 18: 2544-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50376803
(CHEMBL262330)Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N1CCc2cccc(c2C1)C(F)(F)F |w:16.24| Show InChI InChI=1S/C30H33F3N2O/c1-4-19-9-6-10-20(5-2)28(19)25-17-27(36-3)29-24(34-25)13-8-14-26(29)35-16-15-21-11-7-12-23(22(21)18-35)30(31,32)33/h6-7,9-12,17,26H,4-5,8,13-16,18H2,1-3H3 | PDB
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| 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson PRD
Curated by ChEMBL
| Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells |
Bioorg Med Chem Lett 18: 2544-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50251714
(2-(2,6-diethylphenyl)-4-methoxy-N-(5-methoxy-2-met...)Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1cc(OC)ccc1C Show InChI InChI=1S/C28H34N2O2/c1-6-19-10-8-11-20(7-2)27(19)25-17-26(32-5)28-22(12-9-13-23(28)30-25)29-24-16-21(31-4)15-14-18(24)3/h8,10-11,14-17,22,29H,6-7,9,12-13H2,1-5H3 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]C5a from human recombinant C5a receptor in U937 cells |
Bioorg Med Chem Lett 18: 3852-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50251407
((5-chloro-2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7...)Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccc(Cl)cc1CO Show InChI InChI=1S/C27H31ClN2O2/c1-4-17-8-6-9-18(5-2)26(17)24-15-25(32-3)27-22(10-7-11-23(27)30-24)29-21-13-12-20(28)14-19(21)16-31/h6,8-9,12-15,22,29,31H,4-5,7,10-11,16H2,1-3H3 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]C5a from human recombinant C5a receptor in U937 cells |
Bioorg Med Chem Lett 18: 3852-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50462094
(CHEMBL4250011)Show SMILES C[C@H](N1CCc2ccccc2[C@@H]1c1cccc2ccccc12)C(=O)N(Cc1ccccc1F)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C38H35FN2O/c1-26(38(42)41(25-31-15-6-9-20-36(31)39)32-23-29-13-2-3-14-30(29)24-32)40-22-21-28-12-5-8-18-34(28)37(40)35-19-10-16-27-11-4-7-17-33(27)35/h2-20,26,32,37H,21-25H2,1H3/t26-,37+/m0/s1 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human C5aR1 expressed in Sf9 insect cell membranes co-expressing G-alphai2,G-beta1 and G-gamma2 assessed as inhibi... |
J Med Chem 61: 3253-3276 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00882
BindingDB Entry DOI: 10.7270/Q2MK6GJ9 |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50251425
(2-(2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetr...)Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccccc1CCO Show InChI InChI=1S/C28H34N2O2/c1-4-19-11-8-12-20(5-2)27(19)25-18-26(32-3)28-23(14-9-15-24(28)30-25)29-22-13-7-6-10-21(22)16-17-31/h6-8,10-13,18,23,29,31H,4-5,9,14-17H2,1-3H3 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]C5a from human recombinant C5a receptor in U937 cells |
Bioorg Med Chem Lett 18: 3852-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50376802
(CHEMBL258658)Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N1CCc2ccccc2C1 |w:16.24| Show InChI InChI=1S/C29H34N2O/c1-4-20-12-8-13-21(5-2)28(20)25-18-27(32-3)29-24(30-25)14-9-15-26(29)31-17-16-22-10-6-7-11-23(22)19-31/h6-8,10-13,18,26H,4-5,9,14-17,19H2,1-3H3 | PDB
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson PRD
Curated by ChEMBL
| Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells |
Bioorg Med Chem Lett 18: 2544-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50376817
(CHEMBL259643)Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1ccccc1CC)c1cccc2ccccc12 |w:3.2| Show InChI InChI=1S/C30H32N2O/c1-4-21-12-6-8-15-23(21)26-20-29(33-3)30-25(31-26)17-11-19-28(30)32(5-2)27-18-10-14-22-13-7-9-16-24(22)27/h6-10,12-16,18,20,28H,4-5,11,17,19H2,1-3H3 | PDB
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| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson PRD
Curated by ChEMBL
| Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells |
Bioorg Med Chem Lett 18: 2544-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50376795
(CHEMBL260176)Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(CCO)c1cccc2ccccc12 |w:16.24| Show InChI InChI=1S/C32H36N2O2/c1-4-22-12-8-13-23(5-2)31(22)27-21-30(36-3)32-26(33-27)16-10-18-29(32)34(19-20-35)28-17-9-14-24-11-6-7-15-25(24)28/h6-9,11-15,17,21,29,35H,4-5,10,16,18-20H2,1-3H3 | PDB
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| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson PRD
Curated by ChEMBL
| Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells |
Bioorg Med Chem Lett 18: 2544-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50376831
(CHEMBL410032)Show SMILES CCN(C1CCCc2nc(cc(Cl)c12)-c1c(CC)cccc1CC)c1cccc2ccccc12 |w:3.2| Show InChI InChI=1S/C31H33ClN2/c1-4-21-13-9-14-22(5-2)30(21)27-20-25(32)31-26(33-27)17-11-19-29(31)34(6-3)28-18-10-15-23-12-7-8-16-24(23)28/h7-10,12-16,18,20,29H,4-6,11,17,19H2,1-3H3 | PDB
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| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson PRD
Curated by ChEMBL
| Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells |
Bioorg Med Chem Lett 18: 2544-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008382
(Ac-Phe-Lys-AspMet-GIn-Leu-Gly-Arg-OH | CHEMBL23706...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C45H72N12O13S/c1-25(2)21-33(39(64)51-24-36(60)52-32(44(69)70)14-10-19-50-45(48)49)56-41(66)30(15-16-35(47)59)54-42(67)31(17-20-71-4)55-43(68)34(23-37(61)62)57-40(65)29(13-8-9-18-46)53-38(63)28(26(3)58)22-27-11-6-5-7-12-27/h5-7,11-12,25,28-34H,8-10,13-24,46H2,1-4H3,(H2,47,59)(H,51,64)(H,52,60)(H,53,63)(H,54,67)(H,55,68)(H,56,66)(H,57,65)(H,61,62)(H,69,70)(H4,48,49,50)/t28-,29-,30-,31-,32-,33-,34-/m0/s1 | PDB
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-rC5a binding to C5a anaphylatoxin chemotactic receptor in human polymorphonuclear leukocyte (PMNL) membranes |
J Med Chem 35: 402-6 (1992)
BindingDB Entry DOI: 10.7270/Q2HH6J1S |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008383
(CHEMBL408929 | H-Ala-Asn-Ile-Ser-Phe-Lys-AspMet-GI...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C59H98N18O18S/c1-7-31(4)47(77-55(91)40(26-44(63)80)72-48(84)32(5)61)57(93)76-42(29-78)56(92)74-39(25-33-14-9-8-10-15-33)53(89)69-34(16-11-12-21-60)50(86)75-41(27-46(82)83)54(90)71-36(20-23-96-6)52(88)70-35(18-19-43(62)79)51(87)73-38(24-30(2)3)49(85)67-28-45(81)68-37(58(94)95)17-13-22-66-59(64)65/h8-10,14-15,30-32,34-42,47,78H,7,11-13,16-29,60-61H2,1-6H3,(H2,62,79)(H2,63,80)(H,67,85)(H,68,81)(H,69,89)(H,70,88)(H,71,90)(H,72,84)(H,73,87)(H,74,92)(H,75,86)(H,76,93)(H,77,91)(H,82,83)(H,94,95)(H4,64,65,66)/t31-,32-,34-,35-,36-,37-,38-,39-,40-,41-,42-,47-/m0/s1 | PDB
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| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-rC5a binding to C5a anaphylatoxin chemotactic receptor in human polymorphonuclear leukocyte (PMNL) membranes |
J Med Chem 35: 402-6 (1992)
BindingDB Entry DOI: 10.7270/Q2HH6J1S |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008377
(CHEMBL132959 | H-Phe-Lys-AspMet-GIn-Leu-Gly-Arg-OH)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C43H71N13O12S/c1-24(2)20-31(37(62)50-23-34(58)51-30(42(67)68)13-9-18-49-43(47)48)55-39(64)28(14-15-33(46)57)53-40(65)29(16-19-69-3)54-41(66)32(22-35(59)60)56-38(63)27(12-7-8-17-44)52-36(61)26(45)21-25-10-5-4-6-11-25/h4-6,10-11,24,26-32H,7-9,12-23,44-45H2,1-3H3,(H2,46,57)(H,50,62)(H,51,58)(H,52,61)(H,53,65)(H,54,66)(H,55,64)(H,56,63)(H,59,60)(H,67,68)(H4,47,48,49)/t26-,27-,28-,29-,30-,31-,32-/m0/s1 | PDB
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| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-rC5a binding to C5a anaphylatoxin chemotactic receptor in human polymorphonuclear leukocyte (PMNL) membranes |
J Med Chem 35: 402-6 (1992)
BindingDB Entry DOI: 10.7270/Q2HH6J1S |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50376824
(CHEMBL408458)Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1cccc2ccccc12)c1cccc2ccccc12 |w:3.2| Show InChI InChI=1S/C32H30N2O/c1-3-34(29-19-9-14-23-12-5-7-16-25(23)29)30-20-10-18-27-32(30)31(35-2)21-28(33-27)26-17-8-13-22-11-4-6-15-24(22)26/h4-9,11-17,19,21,30H,3,10,18,20H2,1-2H3 | PDB
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| 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson PRD
Curated by ChEMBL
| Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells |
Bioorg Med Chem Lett 18: 2544-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008381
(CHEMBL441393 | H-Ile-Ser-Phe-Lys-AspMet-GIn-Leu-Gl...)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C52H87N15O15S/c1-6-29(4)42(55)50(80)67-38(27-68)49(79)65-36(24-30-13-8-7-9-14-30)47(77)61-31(15-10-11-20-53)44(74)66-37(25-41(71)72)48(78)63-33(19-22-83-5)46(76)62-32(17-18-39(54)69)45(75)64-35(23-28(2)3)43(73)59-26-40(70)60-34(51(81)82)16-12-21-58-52(56)57/h7-9,13-14,28-29,31-38,42,68H,6,10-12,15-27,53,55H2,1-5H3,(H2,54,69)(H,59,73)(H,60,70)(H,61,77)(H,62,76)(H,63,78)(H,64,75)(H,65,79)(H,66,74)(H,67,80)(H,71,72)(H,81,82)(H4,56,57,58)/t29-,31-,32-,33-,34-,35-,36-,37-,38-,42-/m0/s1 | PDB
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| 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-rC5a binding to C5a anaphylatoxin chemotactic receptor in human polymorphonuclear leukocyte (PMNL) membranes |
J Med Chem 35: 402-6 (1992)
BindingDB Entry DOI: 10.7270/Q2HH6J1S |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50238586
((+/-)-2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-p...)Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1ccccc1 Show InChI InChI=1S/C27H32N2O/c1-5-19-12-10-13-20(6-2)26(19)23-18-25(30-4)27-22(28-23)16-11-17-24(27)29(3)21-14-8-7-9-15-21/h7-10,12-15,18,24H,5-6,11,16-17H2,1-4H3 | PDB
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| 680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]C5a from human recombinant C5a receptor in U937 cells |
Bioorg Med Chem Lett 18: 3852-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50238586
((+/-)-2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-p...)Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1ccccc1 Show InChI InChI=1S/C27H32N2O/c1-5-19-12-10-13-20(6-2)26(19)23-18-25(30-4)27-22(28-23)16-11-17-24(27)29(3)21-14-8-7-9-15-21/h7-10,12-15,18,24H,5-6,11,16-17H2,1-4H3 | PDB
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| 680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson PRD
Curated by ChEMBL
| Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells |
Bioorg Med Chem Lett 18: 2544-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008373
(CHEMBL439468 | H-Leu-Arg-Ala-Asn-Ile-Ser-Phe-Lys-A...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C71H121N23O20S/c1-9-38(6)56(94-66(110)49(32-53(75)97)89-57(101)39(7)83-60(104)43(20-15-26-80-70(76)77)85-58(102)41(73)29-36(2)3)68(112)93-51(35-95)67(111)91-48(31-40-17-11-10-12-18-40)64(108)86-42(19-13-14-25-72)61(105)92-50(33-55(99)100)65(109)88-45(24-28-115-8)63(107)87-44(22-23-52(74)96)62(106)90-47(30-37(4)5)59(103)82-34-54(98)84-46(69(113)114)21-16-27-81-71(78)79/h10-12,17-18,36-39,41-51,56,95H,9,13-16,19-35,72-73H2,1-8H3,(H2,74,96)(H2,75,97)(H,82,103)(H,83,104)(H,84,98)(H,85,102)(H,86,108)(H,87,107)(H,88,109)(H,89,101)(H,90,106)(H,91,111)(H,92,105)(H,93,112)(H,94,110)(H,99,100)(H,113,114)(H4,76,77,80)(H4,78,79,81)/t38-,39-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,56-/m0/s1 | PDB
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| 810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-rC5a binding to C5a anaphylatoxin chemotactic receptor in human polymorphonuclear leukocyte (PMNL) membranes |
J Med Chem 35: 402-6 (1992)
BindingDB Entry DOI: 10.7270/Q2HH6J1S |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50376818
(CHEMBL259984)Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1c(OC)cccc1OC)c1cccc2ccccc12 |w:3.2| Show InChI InChI=1S/C30H32N2O3/c1-5-32(24-15-8-12-20-11-6-7-13-21(20)24)25-16-9-14-22-29(25)28(35-4)19-23(31-22)30-26(33-2)17-10-18-27(30)34-3/h6-8,10-13,15,17-19,25H,5,9,14,16H2,1-4H3 | PDB
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| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson PRD
Curated by ChEMBL
| Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells |
Bioorg Med Chem Lett 18: 2544-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50229889
(CHEMBL3350366)Show SMILES CC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:29.31,46.48,7.7,wD:18.19,37.39,3.2,65.68,60.63,(26.15,-13.44,;24.8,-12.7,;23.48,-13.5,;24.76,-11.16,;23.42,-10.42,;22.1,-11.22,;22.13,-12.75,;20.75,-10.48,;20.72,-8.94,;22.04,-8.15,;23.39,-8.89,;24.71,-8.1,;24.68,-6.56,;23.33,-5.81,;22.01,-6.61,;19.43,-11.27,;18.08,-10.53,;18.06,-9,;16.77,-11.33,;16.8,-12.88,;18.16,-13.62,;18.19,-15.16,;19.54,-15.9,;20.86,-15.1,;20.82,-13.56,;19.47,-12.82,;15.42,-10.59,;14.1,-11.38,;14.14,-12.93,;12.75,-10.64,;12.72,-9.11,;14.04,-8.31,;15.38,-9.05,;14.01,-6.78,;11.44,-11.45,;10.09,-10.7,;10.05,-9.16,;8.78,-11.51,;8.81,-13.04,;10.16,-13.79,;10.18,-15.32,;11.53,-16.06,;11.57,-17.6,;7.43,-10.77,;6.11,-11.56,;6.14,-13.1,;4.76,-10.82,;4.72,-9.28,;6.04,-8.48,;7.46,-9.08,;8.46,-7.92,;7.67,-6.59,;6.17,-6.94,;3.45,-11.62,;2.1,-10.88,;.78,-11.67,;2.06,-9.34,;26.09,-10.37,;26.06,-8.83,;27.44,-11.11,;28.75,-10.31,;28.72,-8.77,;30.1,-11.05,;30.13,-12.59,;31.41,-10.26,;32.76,-11,;32.79,-12.53,;34.14,-13.27,;34.18,-14.81,;35.53,-15.56,;35.56,-17.09,;36.91,-17.83,;34.24,-17.9,;34.08,-10.2,;35.43,-10.94,;34.05,-8.66,)| Show InChI InChI=1S/C50H84N14O12/c1-28(2)41(48(74)57-29(3)42(68)60-35(49(75)76)19-13-21-55-50(52)53)64-47(73)37(23-32-16-9-6-10-17-32)62-44(70)36(22-31-14-7-5-8-15-31)61-46(72)39(25-40(66)67)63-43(69)34(18-11-12-20-51)59-45(71)38(58-30(4)65)24-33-26-54-27-56-33/h26-29,31-32,34-39,41H,5-25,51H2,1-4H3,(H,54,56)(H,57,74)(H,58,65)(H,59,71)(H,60,68)(H,61,72)(H,62,70)(H,63,69)(H,64,73)(H,66,67)(H,75,76)(H4,52,53,55)/t29-,34+,35+,36+,37+,38+,39+,41+/m1/s1 | PDB
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| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [125I]-C5a anaphylatoxin chemotactic receptor to polymorphonuclear leukocyte (PMNL) membrane receptor |
J Med Chem 35: 220-3 (1992)
BindingDB Entry DOI: 10.7270/Q21G0K7X |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008231
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:30.36,8.16,47.56,wD:4.4,19.28,38.45,66.68,61.64,2.2,(26.03,-14.93,;26,-13.39,;24.65,-12.65,;23.33,-13.45,;24.61,-11.11,;23.26,-10.37,;21.94,-11.17,;21.98,-12.71,;20.59,-10.43,;20.57,-8.89,;21.88,-8.09,;21.85,-6.55,;23.16,-5.74,;24.52,-6.49,;24.55,-8.03,;23.23,-8.83,;19.28,-11.22,;17.93,-10.48,;17.89,-8.95,;16.61,-11.28,;16.65,-12.82,;17.99,-13.56,;19.31,-12.76,;20.67,-13.5,;20.7,-15.05,;19.37,-15.85,;18.03,-15.11,;15.26,-10.54,;13.95,-11.34,;13.98,-12.87,;12.59,-10.59,;12.56,-9.06,;13.87,-8.26,;15.22,-9,;13.85,-6.72,;11.28,-11.39,;9.93,-10.65,;9.89,-9.11,;8.61,-11.45,;8.64,-13,;10,-13.74,;10.02,-15.28,;11.37,-16.02,;11.41,-17.56,;7.26,-10.71,;5.94,-11.5,;5.98,-13.05,;4.6,-10.76,;4.56,-9.23,;5.87,-8.43,;7.3,-9.02,;8.3,-7.85,;7.5,-6.54,;6,-6.89,;3.28,-11.57,;1.93,-10.82,;.61,-11.63,;1.89,-9.28,;25.92,-10.32,;25.9,-8.77,;27.27,-11.06,;28.6,-10.26,;28.56,-8.72,;29.94,-11,;29.98,-12.54,;31.27,-10.2,;32.62,-10.95,;32.64,-12.48,;33.99,-13.22,;34.03,-14.76,;35.38,-15.5,;35.41,-17.05,;36.76,-17.79,;34.1,-17.85,;33.93,-10.14,;35.28,-10.88,;33.9,-8.61,)| Show InChI InChI=1S/C51H86N14O12/c1-5-29(2)42(49(75)58-30(3)43(69)61-36(50(76)77)20-14-22-56-51(53)54)65-48(74)38(24-33-17-10-7-11-18-33)63-45(71)37(23-32-15-8-6-9-16-32)62-47(73)40(26-41(67)68)64-44(70)35(19-12-13-21-52)60-46(72)39(59-31(4)66)25-34-27-55-28-57-34/h27-30,32-33,35-40,42H,5-26,52H2,1-4H3,(H,55,57)(H,58,75)(H,59,66)(H,60,72)(H,61,69)(H,62,73)(H,63,71)(H,64,70)(H,65,74)(H,67,68)(H,76,77)(H4,53,54,56)/t29-,30-,35-,36-,37-,38-,39-,40-,42-/m0/s1 | PDB
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| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [125I]-C5a anaphylatoxin chemotactic receptor to polymorphonuclear leukocyte (PMNL) membrane receptor |
J Med Chem 35: 220-3 (1992)
BindingDB Entry DOI: 10.7270/Q21G0K7X |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008371
(CHEMBL127385 | H-Thi-Lys-AspMet-GIn-Leu-Gly-Arg-OH)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](N)Cc1cccs1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C41H69N13O12S2/c1-22(2)18-29(35(60)48-21-32(56)49-28(40(65)66)10-6-15-47-41(45)46)53-37(62)26(11-12-31(44)55)51-38(63)27(13-17-67-3)52-39(64)30(20-33(57)58)54-36(61)25(9-4-5-14-42)50-34(59)24(43)19-23-8-7-16-68-23/h7-8,16,22,24-30H,4-6,9-15,17-21,42-43H2,1-3H3,(H2,44,55)(H,48,60)(H,49,56)(H,50,59)(H,51,63)(H,52,64)(H,53,62)(H,54,61)(H,57,58)(H,65,66)(H4,45,46,47)/t24-,25+,26+,27+,28+,29+,30+/m1/s1 | PDB
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PC sid
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| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-rC5a binding to C5a anaphylatoxin chemotactic receptor in human polymorphonuclear leukocyte (PMNL) membranes |
J Med Chem 35: 402-6 (1992)
BindingDB Entry DOI: 10.7270/Q2HH6J1S |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008230
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:30.32,47.49,8.8,wD:19.20,4.3,38.40,66.69,61.64,(26.03,-14.93,;26,-13.39,;27.31,-12.59,;24.65,-12.65,;24.61,-11.11,;23.26,-10.37,;21.94,-11.17,;21.98,-12.71,;20.59,-10.43,;20.57,-8.89,;21.88,-8.09,;21.85,-6.55,;23.16,-5.74,;24.52,-6.49,;24.55,-8.03,;23.23,-8.83,;19.28,-11.22,;17.93,-10.48,;17.89,-8.95,;16.61,-11.28,;16.65,-12.82,;17.99,-13.56,;19.31,-12.76,;20.67,-13.5,;20.7,-15.05,;19.37,-15.85,;18.03,-15.11,;15.26,-10.54,;13.95,-11.34,;13.98,-12.87,;12.59,-10.59,;12.56,-9.06,;13.87,-8.26,;15.22,-9,;13.85,-6.72,;11.28,-11.39,;9.93,-10.65,;9.89,-9.11,;8.61,-11.45,;8.64,-13,;10,-13.74,;10.02,-15.28,;11.37,-16.02,;11.41,-17.56,;7.26,-10.71,;5.94,-11.5,;5.98,-13.05,;4.6,-10.76,;4.56,-9.23,;5.87,-8.43,;7.3,-9.02,;8.3,-7.85,;7.5,-6.54,;6,-6.89,;3.28,-11.57,;1.93,-10.82,;.61,-11.63,;1.89,-9.28,;25.92,-10.32,;25.9,-8.77,;27.27,-11.06,;28.6,-10.26,;28.56,-8.72,;29.94,-11,;29.98,-12.54,;31.27,-10.2,;32.62,-10.95,;32.64,-12.48,;33.99,-13.22,;34.03,-14.76,;35.38,-15.5,;35.41,-17.05,;36.76,-17.79,;34.1,-17.85,;33.93,-10.14,;35.28,-10.88,;33.9,-8.61,)| Show InChI InChI=1S/C54H90N14O12/c1-32(46(72)64-39(53(79)80)22-14-24-59-54(56)57)61-48(74)40(25-34-15-6-3-7-16-34)65-49(75)41(26-35-17-8-4-9-18-35)66-50(76)42(27-36-19-10-5-11-20-36)67-52(78)44(29-45(70)71)68-47(73)38(21-12-13-23-55)63-51(77)43(62-33(2)69)28-37-30-58-31-60-37/h30-32,34-36,38-44H,3-29,55H2,1-2H3,(H,58,60)(H,61,74)(H,62,69)(H,63,77)(H,64,72)(H,65,75)(H,66,76)(H,67,78)(H,68,73)(H,70,71)(H,79,80)(H4,56,57,59)/t32-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
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| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [125I]-C5a anaphylatoxin chemotactic receptor to polymorphonuclear leukocyte (PMNL) membrane receptor |
J Med Chem 35: 220-3 (1992)
BindingDB Entry DOI: 10.7270/Q21G0K7X |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50376816
(CHEMBL260175)Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1ccccc1F)c1cccc2ccccc12 |w:3.2| Show InChI InChI=1S/C28H27FN2O/c1-3-31(25-16-8-11-19-10-4-5-12-20(19)25)26-17-9-15-23-28(26)27(32-2)18-24(30-23)21-13-6-7-14-22(21)29/h4-8,10-14,16,18,26H,3,9,15,17H2,1-2H3 | PDB
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| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson PRD
Curated by ChEMBL
| Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells |
Bioorg Med Chem Lett 18: 2544-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008374
(CHEMBL435002 | Hca-Lys-AspMet-GIn-Leu-Gly-Arg-OH)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C43H70N12O12S/c1-25(2)22-31(37(61)49-24-35(58)51-30(42(66)67)13-9-20-48-43(46)47)54-39(63)28(15-16-33(45)56)52-40(64)29(18-21-68-3)53-41(65)32(23-36(59)60)55-38(62)27(12-7-8-19-44)50-34(57)17-14-26-10-5-4-6-11-26/h4-6,10-11,25,27-32H,7-9,12-24,44H2,1-3H3,(H2,45,56)(H,49,61)(H,50,57)(H,51,58)(H,52,64)(H,53,65)(H,54,63)(H,55,62)(H,59,60)(H,66,67)(H4,46,47,48)/t27-,28-,29-,30-,31-,32-/m0/s1 | PDB
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| 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-rC5a binding to C5a anaphylatoxin chemotactic receptor in human polymorphonuclear leukocyte (PMNL) membranes |
J Med Chem 35: 402-6 (1992)
BindingDB Entry DOI: 10.7270/Q2HH6J1S |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008233
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)Show SMILES CCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:29.31,46.48,7.7,wD:18.19,3.2,37.39,65.68,60.63,(23.35,-14.99,;23.32,-13.44,;24.63,-12.64,;24.59,-11.11,;23.24,-10.37,;21.93,-11.16,;21.97,-12.7,;20.58,-10.42,;20.55,-8.89,;21.87,-8.08,;23.22,-8.82,;24.53,-8.03,;24.5,-6.48,;23.15,-5.74,;21.84,-6.55,;19.27,-11.22,;17.91,-10.48,;17.88,-8.94,;16.6,-11.27,;16.64,-12.81,;17.98,-13.55,;19.3,-12.75,;20.65,-13.49,;20.68,-15.04,;19.36,-15.84,;18.02,-15.1,;15.25,-10.53,;13.94,-11.33,;13.97,-12.86,;12.59,-10.59,;12.55,-9.05,;13.86,-8.26,;15.21,-9,;13.84,-6.72,;11.27,-11.38,;9.92,-10.64,;9.89,-9.11,;8.61,-11.44,;8.64,-12.99,;9.99,-13.73,;10.02,-15.27,;11.37,-16.01,;11.4,-17.54,;7.26,-10.7,;5.94,-11.5,;5.98,-13.04,;4.59,-10.75,;4.56,-9.22,;5.87,-8.42,;7.3,-9.02,;8.29,-7.85,;7.5,-6.54,;6,-6.89,;3.27,-11.56,;1.92,-10.81,;.61,-11.62,;1.89,-9.28,;25.91,-10.31,;25.88,-8.77,;27.26,-11.05,;28.58,-10.26,;28.55,-8.71,;29.92,-11,;29.96,-12.53,;31.25,-10.19,;32.6,-10.94,;32.62,-12.48,;33.97,-13.22,;34.01,-14.75,;35.36,-15.49,;35.39,-17.04,;36.74,-17.78,;34.08,-17.83,;33.91,-10.14,;35.26,-10.88,;33.88,-8.6,)| Show InChI InChI=1S/C50H84N14O12/c1-4-14-34(43(69)57-29(2)42(68)61-36(49(75)76)20-13-22-55-50(52)53)59-45(71)37(23-31-15-7-5-8-16-31)62-46(72)38(24-32-17-9-6-10-18-32)63-48(74)40(26-41(66)67)64-44(70)35(19-11-12-21-51)60-47(73)39(58-30(3)65)25-33-27-54-28-56-33/h27-29,31-32,34-40H,4-26,51H2,1-3H3,(H,54,56)(H,57,69)(H,58,65)(H,59,71)(H,60,73)(H,61,68)(H,62,72)(H,63,74)(H,64,70)(H,66,67)(H,75,76)(H4,52,53,55)/t29-,34-,35-,36-,37-,38-,39-,40-/m0/s1 | PDB
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PC sid
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| 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [125I]-C5a anaphylatoxin chemotactic receptor to polymorphonuclear leukocyte (PMNL) membrane receptor |
J Med Chem 35: 220-3 (1992)
BindingDB Entry DOI: 10.7270/Q21G0K7X |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50376797
(CHEMBL259639)Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1ccccc1)c1cccc2ccccc12 |w:3.2| Show InChI InChI=1S/C28H28N2O/c1-3-30(25-17-9-14-20-11-7-8-15-22(20)25)26-18-10-16-23-28(26)27(31-2)19-24(29-23)21-12-5-4-6-13-21/h4-9,11-15,17,19,26H,3,10,16,18H2,1-2H3 | PDB
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| 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson PRD
Curated by ChEMBL
| Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells |
Bioorg Med Chem Lett 18: 2544-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008232
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)Show SMILES C[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:38.41,55.58,16.17,wD:27.29,5.5,46.49,69.73,1.0,(28.72,-8.78,;28.75,-10.31,;27.44,-11.11,;26.09,-10.37,;26.06,-8.83,;24.76,-11.16,;24.8,-12.7,;26.15,-13.44,;26.18,-14.99,;27.54,-15.73,;28.85,-14.93,;28.81,-13.38,;27.46,-12.64,;23.42,-10.42,;22.1,-11.22,;22.13,-12.75,;20.75,-10.48,;20.72,-8.94,;22.04,-8.15,;22,-6.6,;23.32,-5.81,;24.67,-6.55,;24.7,-8.09,;23.38,-8.89,;19.43,-11.27,;18.08,-10.53,;18.06,-9,;16.77,-11.33,;16.8,-12.88,;18.16,-13.62,;19.47,-12.82,;20.82,-13.56,;20.85,-15.1,;19.54,-15.9,;18.19,-15.16,;15.42,-10.59,;14.1,-11.38,;14.14,-12.93,;12.75,-10.64,;12.72,-9.11,;14.04,-8.31,;15.38,-9.05,;14.01,-6.78,;11.44,-11.45,;10.09,-10.7,;10.05,-9.16,;8.78,-11.51,;8.81,-13.04,;10.16,-13.79,;10.18,-15.32,;11.53,-16.06,;11.57,-17.6,;7.43,-10.77,;6.11,-11.56,;6.14,-13.1,;4.76,-10.82,;4.72,-9.28,;6.04,-8.48,;7.46,-9.08,;8.46,-7.92,;7.67,-6.59,;6.17,-6.94,;3.45,-11.62,;2.1,-10.88,;.78,-11.67,;2.06,-9.34,;30.1,-11.05,;30.13,-12.59,;31.41,-10.26,;32.76,-11,;32.79,-12.53,;34.14,-13.27,;34.18,-14.81,;35.53,-15.56,;35.56,-17.09,;36.91,-17.83,;34.24,-17.9,;34.08,-10.2,;35.43,-10.94,;34.05,-8.66,)| Show InChI InChI=1S/C51H86N14O12/c1-29(2)22-37(45(71)58-30(3)43(69)61-36(50(76)77)19-13-21-56-51(53)54)62-46(72)38(23-32-14-7-5-8-15-32)63-47(73)39(24-33-16-9-6-10-17-33)64-49(75)41(26-42(67)68)65-44(70)35(18-11-12-20-52)60-48(74)40(59-31(4)66)25-34-27-55-28-57-34/h27-30,32-33,35-41H,5-26,52H2,1-4H3,(H,55,57)(H,58,71)(H,59,66)(H,60,74)(H,61,69)(H,62,72)(H,63,73)(H,64,75)(H,65,70)(H,67,68)(H,76,77)(H4,53,54,56)/t30-,35-,36-,37-,38-,39-,40-,41-/m0/s1 | PDB
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KEGG
PC cid
PC sid
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| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [125I]-C5a anaphylatoxin chemotactic receptor to polymorphonuclear leukocyte (PMNL) membrane receptor |
J Med Chem 35: 220-3 (1992)
BindingDB Entry DOI: 10.7270/Q21G0K7X |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008379
(CHEMBL339127 | H-Cha-Lys-AspMet-GIn-Leu-Gly-Arg-OH)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](N)CC1CCCCC1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C43H77N13O12S/c1-24(2)20-31(37(62)50-23-34(58)51-30(42(67)68)13-9-18-49-43(47)48)55-39(64)28(14-15-33(46)57)53-40(65)29(16-19-69-3)54-41(66)32(22-35(59)60)56-38(63)27(12-7-8-17-44)52-36(61)26(45)21-25-10-5-4-6-11-25/h24-32H,4-23,44-45H2,1-3H3,(H2,46,57)(H,50,62)(H,51,58)(H,52,61)(H,53,65)(H,54,66)(H,55,64)(H,56,63)(H,59,60)(H,67,68)(H4,47,48,49)/t26-,27+,28+,29+,30+,31+,32+/m1/s1 | PDB
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PC sid
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| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-rC5a binding to C5a anaphylatoxin chemotactic receptor in human polymorphonuclear leukocyte (PMNL) membranes |
J Med Chem 35: 402-6 (1992)
BindingDB Entry DOI: 10.7270/Q2HH6J1S |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008375
(CHEMBL128360 | H-Thia-Lys-AspMet-GIn-Leu-Gly-Arg-O...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](C)Nc1nccs1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C40H68N14O12S2/c1-21(2)18-27(33(60)47-20-30(56)49-26(38(65)66)9-7-14-45-39(43)44)53-35(62)24(10-11-29(42)55)51-36(63)25(12-16-67-4)52-37(64)28(19-31(57)58)54-34(61)23(8-5-6-13-41)50-32(59)22(3)48-40-46-15-17-68-40/h15,17,21-28H,5-14,16,18-20,41H2,1-4H3,(H2,42,55)(H,46,48)(H,47,60)(H,49,56)(H,50,59)(H,51,63)(H,52,64)(H,53,62)(H,54,61)(H,57,58)(H,65,66)(H4,43,44,45)/t22-,23+,24+,25+,26+,27+,28+/m1/s1 | PDB
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PC sid
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| 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-rC5a binding to C5a anaphylatoxin chemotactic receptor in human polymorphonuclear leukocyte (PMNL) membranes |
J Med Chem 35: 402-6 (1992)
BindingDB Entry DOI: 10.7270/Q2HH6J1S |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008228
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)Show SMILES CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:23.24,4.4,42.44,wD:31.32,53.56,14.15,68.72,(.78,-11.67,;2.1,-10.88,;2.06,-9.34,;3.45,-11.62,;4.76,-10.82,;4.72,-9.28,;6.04,-8.48,;7.46,-9.08,;8.46,-7.92,;7.67,-6.59,;6.17,-6.94,;6.11,-11.56,;6.14,-13.1,;7.43,-10.77,;8.78,-11.51,;8.81,-13.04,;10.16,-13.79,;10.18,-15.32,;11.53,-16.06,;11.57,-17.6,;10.09,-10.7,;10.05,-9.16,;11.44,-11.45,;12.75,-10.64,;12.72,-9.11,;14.04,-8.31,;15.38,-9.05,;14.01,-6.78,;14.1,-11.38,;14.14,-12.93,;15.42,-10.59,;16.77,-11.33,;16.8,-12.88,;18.16,-13.62,;19.47,-12.82,;20.82,-13.56,;20.85,-15.1,;19.54,-15.9,;18.19,-15.16,;18.08,-10.53,;18.06,-9,;19.43,-11.27,;20.75,-10.48,;20.72,-8.94,;22.04,-8.15,;23.38,-8.89,;24.7,-8.09,;24.67,-6.55,;23.32,-5.81,;22,-6.6,;22.1,-11.22,;22.13,-12.75,;23.42,-10.42,;24.76,-11.16,;24.8,-12.7,;26.15,-13.44,;26.18,-14.99,;27.54,-15.73,;28.85,-14.93,;28.81,-13.38,;27.46,-12.64,;26.09,-10.37,;26.06,-8.83,;27.44,-11.11,;28.75,-10.31,;30.1,-11.05,;30.13,-12.59,;31.41,-10.26,;32.76,-11,;32.79,-12.53,;34.14,-13.27,;34.18,-14.81,;35.53,-15.56,;35.56,-17.09,;36.91,-17.83,;34.24,-17.9,;34.08,-10.2,;35.43,-10.94,;34.05,-8.66,)| Show InChI InChI=1S/C53H88N14O12/c1-32(68)61-42(27-36-29-57-31-60-36)50(76)63-37(20-11-12-22-54)47(73)67-43(28-45(70)71)51(77)66-41(26-35-18-9-4-10-19-35)49(75)65-40(25-34-16-7-3-8-17-34)48(74)64-39(24-33-14-5-2-6-15-33)46(72)59-30-44(69)62-38(52(78)79)21-13-23-58-53(55)56/h29,31,33-35,37-43H,2-28,30,54H2,1H3,(H,57,60)(H,59,72)(H,61,68)(H,62,69)(H,63,76)(H,64,74)(H,65,75)(H,66,77)(H,67,73)(H,70,71)(H,78,79)(H4,55,56,58)/t37-,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
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PC sid
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| 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [125I]-C5a anaphylatoxin chemotactic receptor to polymorphonuclear leukocyte (PMNL) membrane receptor |
J Med Chem 35: 220-3 (1992)
BindingDB Entry DOI: 10.7270/Q21G0K7X |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008372
(CHEMBL408493 | H-Phg-Lys-AspMet-GIn-Leu-Gly-Arg-OH)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](N)c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C42H69N13O12S/c1-23(2)20-29(35(60)49-22-32(57)50-28(41(66)67)13-9-18-48-42(46)47)54-37(62)26(14-15-31(44)56)51-38(63)27(16-19-68-3)52-39(64)30(21-33(58)59)55-36(61)25(12-7-8-17-43)53-40(65)34(45)24-10-5-4-6-11-24/h4-6,10-11,23,25-30,34H,7-9,12-22,43,45H2,1-3H3,(H2,44,56)(H,49,60)(H,50,57)(H,51,63)(H,52,64)(H,53,65)(H,54,62)(H,55,61)(H,58,59)(H,66,67)(H4,46,47,48)/t25-,26-,27-,28-,29-,30-,34+/m0/s1 | PDB
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PC sid
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| 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-rC5a binding to C5a anaphylatoxin chemotactic receptor in human polymorphonuclear leukocyte (PMNL) membranes |
J Med Chem 35: 402-6 (1992)
BindingDB Entry DOI: 10.7270/Q2HH6J1S |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008380
(CHEMBL217002 | H-hPhe-Lys-AspMet-GIn-Leu-Gly-Arg-O...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C44H73N13O12S/c1-25(2)22-32(38(63)51-24-35(59)52-31(43(68)69)13-9-20-50-44(48)49)56-40(65)29(16-17-34(47)58)54-41(66)30(18-21-70-3)55-42(67)33(23-36(60)61)57-39(64)28(12-7-8-19-45)53-37(62)27(46)15-14-26-10-5-4-6-11-26/h4-6,10-11,25,27-33H,7-9,12-24,45-46H2,1-3H3,(H2,47,58)(H,51,63)(H,52,59)(H,53,62)(H,54,66)(H,55,67)(H,56,65)(H,57,64)(H,60,61)(H,68,69)(H4,48,49,50)/t27-,28-,29-,30-,31-,32-,33-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-rC5a binding to C5a anaphylatoxin chemotactic receptor in human polymorphonuclear leukocyte (PMNL) membranes |
J Med Chem 35: 402-6 (1992)
BindingDB Entry DOI: 10.7270/Q2HH6J1S |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50012292
(AcMet-Val-Val-Ala-Ser-Gln-Leu-Arg-Ala-Asn-Ile-Ser-...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(C)=O)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C96H166N32O29S2/c1-16-49(10)75(93(155)125-67(43-130)90(152)122-63(37-53-40-105-44-109-53)86(148)114-54(21-17-18-30-97)80(142)123-65(39-72(136)137)87(149)118-59(29-34-159-15)83(145)116-56(24-26-68(98)132)81(143)120-61(35-45(2)3)78(140)108-41-71(135)113-60(94(156)157)23-20-32-107-96(103)104)128-88(150)64(38-70(100)134)119-76(138)50(11)110-79(141)55(22-19-31-106-95(101)102)115-85(147)62(36-46(4)5)121-82(144)57(25-27-69(99)133)117-89(151)66(42-129)124-77(139)51(12)111-91(153)73(47(6)7)127-92(154)74(48(8)9)126-84(146)58(28-33-158-14)112-52(13)131/h40,44-51,54-67,73-75,129-130H,16-39,41-43,97H2,1-15H3,(H2,98,132)(H2,99,133)(H2,100,134)(H,105,109)(H,108,140)(H,110,141)(H,111,153)(H,112,131)(H,113,135)(H,114,148)(H,115,147)(H,116,145)(H,117,151)(H,118,149)(H,119,138)(H,120,143)(H,121,144)(H,122,152)(H,123,142)(H,124,139)(H,125,155)(H,126,146)(H,127,154)(H,128,150)(H,136,137)(H,156,157)(H4,101,102,106)(H4,103,104,107)/t49-,50-,51-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-C5a anaphylatoxin chemotactic receptor binding to PMNL membranes. |
J Med Chem 34: 2068-71 (1991)
BindingDB Entry DOI: 10.7270/Q21Z43C8 |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008384
(CHEMBL336081 | H-His(3Me)-Lys-AspMet-GIn-Leu-Gly-A...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC1=NCN(C)C1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O |t:28| Show InChI InChI=1S/C41H73N15O12S/c1-22(2)16-29(35(62)48-19-32(58)50-28(40(67)68)9-7-14-47-41(45)46)54-37(64)26(10-11-31(44)57)52-38(65)27(12-15-69-4)53-39(66)30(18-33(59)60)55-36(63)25(8-5-6-13-42)51-34(61)24(43)17-23-20-56(3)21-49-23/h22,24-30H,5-21,42-43H2,1-4H3,(H2,44,57)(H,48,62)(H,50,58)(H,51,61)(H,52,65)(H,53,66)(H,54,64)(H,55,63)(H,59,60)(H,67,68)(H4,45,46,47)/t24-,25-,26-,27-,28-,29-,30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| PubMed
| 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-rC5a binding to C5a anaphylatoxin chemotactic receptor in human polymorphonuclear leukocyte (PMNL) membranes |
J Med Chem 35: 402-6 (1992)
BindingDB Entry DOI: 10.7270/Q2HH6J1S |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008370
(CHEMBL435810 | H-DPhe-Lys-AspMet-GIn-Leu-Gly-Arg-O...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C43H71N13O12S/c1-24(2)20-31(37(62)50-23-34(58)51-30(42(67)68)13-9-18-49-43(47)48)55-39(64)28(14-15-33(46)57)53-40(65)29(16-19-69-3)54-41(66)32(22-35(59)60)56-38(63)27(12-7-8-17-44)52-36(61)26(45)21-25-10-5-4-6-11-25/h4-6,10-11,24,26-32H,7-9,12-23,44-45H2,1-3H3,(H2,46,57)(H,50,62)(H,51,58)(H,52,61)(H,53,65)(H,54,66)(H,55,64)(H,56,63)(H,59,60)(H,67,68)(H4,47,48,49)/t26-,27+,28+,29+,30+,31+,32+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-rC5a binding to C5a anaphylatoxin chemotactic receptor in human polymorphonuclear leukocyte (PMNL) membranes |
J Med Chem 35: 402-6 (1992)
BindingDB Entry DOI: 10.7270/Q2HH6J1S |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50012291
(CHEMBL429238 | Phe-Thr-Glu-Met-Met-Val-Val-Ala-Ser...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C117H196N36O35S3/c1-17-60(10)91(113(185)149-82(54-155)110(182)146-78(48-65-51-127-55-131-65)106(178)135-67(27-21-22-39-118)98(170)147-80(50-88(163)164)107(179)141-73(37-43-190-15)102(174)137-69(30-33-83(120)157)100(172)144-76(45-56(2)3)96(168)130-52-86(160)134-75(115(187)188)29-24-41-129-117(125)126)152-108(180)79(49-85(122)159)143-93(165)61(11)132-97(169)68(28-23-40-128-116(123)124)136-105(177)77(46-57(4)5)145-101(173)70(31-34-84(121)158)138-109(181)81(53-154)148-94(166)62(12)133-111(183)89(58(6)7)151-112(184)90(59(8)9)150-104(176)74(38-44-191-16)140-103(175)72(36-42-189-14)139-99(171)71(32-35-87(161)162)142-114(186)92(63(13)156)153-95(167)66(119)47-64-25-19-18-20-26-64/h18-20,25-26,51,55-63,66-82,89-92,154-156H,17,21-24,27-50,52-54,118-119H2,1-16H3,(H2,120,157)(H2,121,158)(H2,122,159)(H,127,131)(H,130,168)(H,132,169)(H,133,183)(H,134,160)(H,135,178)(H,136,177)(H,137,174)(H,138,181)(H,139,171)(H,140,175)(H,141,179)(H,142,186)(H,143,165)(H,144,172)(H,145,173)(H,146,182)(H,147,170)(H,148,166)(H,149,185)(H,150,176)(H,151,184)(H,152,180)(H,153,167)(H,161,162)(H,163,164)(H,187,188)(H4,123,124,128)(H4,125,126,129)/t60-,61-,62-,63+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,89-,90-,91-,92-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-C5a anaphylatoxin chemotactic receptor binding to PMNL membranes. |
J Med Chem 34: 2068-71 (1991)
BindingDB Entry DOI: 10.7270/Q21Z43C8 |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50012296
(Ac-Ile-Ser-His-Lys-Asp-Met-Gln-Leu-Arg-Gly-Arg | C...)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C57H99N21O17S/c1-7-30(4)45(69-31(5)80)54(93)78-41(27-79)53(92)76-39(23-32-25-64-28-68-32)51(90)72-34(12-8-9-18-58)47(86)77-40(24-44(83)84)52(91)74-36(17-21-96-6)49(88)73-35(15-16-42(59)81)48(87)75-38(22-29(2)3)50(89)71-33(13-10-19-65-56(60)61)46(85)67-26-43(82)70-37(55(94)95)14-11-20-66-57(62)63/h25,28-30,33-41,45,79H,7-24,26-27,58H2,1-6H3,(H2,59,81)(H,64,68)(H,67,85)(H,69,80)(H,70,82)(H,71,89)(H,72,90)(H,73,88)(H,74,91)(H,75,87)(H,76,92)(H,77,86)(H,78,93)(H,83,84)(H,94,95)(H4,60,61,65)(H4,62,63,66)/t30-,33-,34-,35-,36-,37-,38-,39-,40-,41-,45-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibition of [125I]-C5a binding to C5a anaphylatoxin chemotactic receptor binding to PMNL membranes. |
J Med Chem 34: 2068-71 (1991)
BindingDB Entry DOI: 10.7270/Q21Z43C8 |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50012294
(AcMet-Ile-Lys-Ala-Phe-Thr-Glu-Met-Met-Val-Val-Ala-...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C139H235N41O40S4/c1-22-72(11)108(178-123(205)87(45-53-221-18)157-78(17)184)134(216)166-81(35-27-29-49-140)115(197)154-74(13)111(193)168-94(59-79-33-25-24-26-34-79)128(210)180-110(77(16)183)136(218)167-86(41-44-104(189)190)118(200)163-88(46-54-222-19)122(204)164-90(48-56-224-21)124(206)176-107(71(9)10)133(215)177-106(70(7)8)132(214)156-76(15)113(195)174-98(65-181)130(212)162-85(40-43-101(143)186)120(202)171-93(58-69(5)6)125(207)160-83(37-31-51-150-138(145)146)116(198)155-75(14)112(194)169-96(61-102(144)187)129(211)179-109(73(12)23-2)135(217)175-99(66-182)131(213)172-95(60-80-63-149-67-153-80)126(208)159-82(36-28-30-50-141)117(199)173-97(62-105(191)192)127(209)165-89(47-55-223-20)121(203)161-84(39-42-100(142)185)119(201)170-92(57-68(3)4)114(196)152-64-103(188)158-91(137(219)220)38-32-52-151-139(147)148/h24-26,33-34,63,67-77,81-99,106-110,181-183H,22-23,27-32,35-62,64-66,140-141H2,1-21H3,(H2,142,185)(H2,143,186)(H2,144,187)(H,149,153)(H,152,196)(H,154,197)(H,155,198)(H,156,214)(H,157,184)(H,158,188)(H,159,208)(H,160,207)(H,161,203)(H,162,212)(H,163,200)(H,164,204)(H,165,209)(H,166,216)(H,167,218)(H,168,193)(H,169,194)(H,170,201)(H,171,202)(H,172,213)(H,173,199)(H,174,195)(H,175,217)(H,176,206)(H,177,215)(H,178,205)(H,179,211)(H,180,210)(H,189,190)(H,191,192)(H,219,220)(H4,145,146,150)(H4,147,148,151)/t72-,73-,74-,75-,76-,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,106-,107-,108-,109-,110-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-C5a anaphylatoxin chemotactic receptor binding to PMNL membranes. |
J Med Chem 34: 2068-71 (1991)
BindingDB Entry DOI: 10.7270/Q21Z43C8 |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50012290
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C42H71N15O13S/c1-22(2)16-29(35(63)49-20-33(60)52-28(41(69)70)9-7-14-48-42(45)46)56-37(65)26(10-11-32(44)59)54-38(66)27(12-15-71-4)55-40(68)31(18-34(61)62)57-36(64)25(8-5-6-13-43)53-39(67)30(51-23(3)58)17-24-19-47-21-50-24/h19,21-22,25-31H,5-18,20,43H2,1-4H3,(H2,44,59)(H,47,50)(H,49,63)(H,51,58)(H,52,60)(H,53,67)(H,54,66)(H,55,68)(H,56,65)(H,57,64)(H,61,62)(H,69,70)(H4,45,46,48)/t25-,26-,27-,28-,29-,30-,31-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-C5a binding to C5a anaphylatoxin chemotactic receptor in PMNL membranes |
J Med Chem 34: 2068-71 (1991)
BindingDB Entry DOI: 10.7270/Q21Z43C8 |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008235
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:8.8,25.25,39.40,4.3,wD:48.49,16.16,60.61,(19.54,-15.9,;18.19,-15.16,;18.16,-13.62,;16.8,-12.88,;16.77,-11.33,;15.42,-10.59,;14.1,-11.38,;14.14,-12.93,;12.75,-10.64,;12.72,-9.11,;14.04,-8.31,;15.38,-9.05,;14.01,-6.78,;11.44,-11.45,;10.09,-10.7,;10.05,-9.16,;8.78,-11.51,;8.81,-13.04,;10.16,-13.79,;10.18,-15.32,;11.53,-16.06,;11.57,-17.6,;7.43,-10.77,;6.11,-11.56,;6.14,-13.1,;4.76,-10.82,;4.72,-9.28,;6.04,-8.48,;7.46,-9.08,;8.46,-7.92,;7.67,-6.59,;6.17,-6.94,;3.45,-11.62,;2.1,-10.88,;.78,-11.67,;2.06,-9.34,;18.08,-10.53,;18.06,-9,;19.43,-11.27,;20.75,-10.48,;20.72,-8.94,;22.04,-8.15,;22,-6.6,;20.65,-5.86,;23.32,-5.81,;22.1,-11.22,;22.13,-12.75,;23.42,-10.42,;24.76,-11.16,;24.8,-12.7,;26.15,-13.44,;26.18,-14.99,;27.46,-12.64,;26.09,-10.37,;26.06,-8.83,;27.44,-11.11,;28.75,-10.31,;30.1,-11.05,;30.13,-12.59,;31.41,-10.26,;32.76,-11,;32.79,-12.53,;34.14,-13.27,;34.18,-14.81,;35.53,-15.56,;35.56,-17.09,;36.91,-17.83,;34.24,-17.9,;34.08,-10.2,;35.43,-10.94,;34.05,-8.66,)| Show InChI InChI=1S/C42H71N15O13S/c1-22(2)16-29(35(63)49-20-33(60)52-28(41(69)70)9-7-14-48-42(45)46)56-37(65)26(10-11-32(44)59)54-38(66)27(12-15-71-4)55-40(68)31(18-34(61)62)57-36(64)25(8-5-6-13-43)53-39(67)30(51-23(3)58)17-24-19-47-21-50-24/h19,21-22,25-31H,5-18,20,43H2,1-4H3,(H2,44,59)(H,47,50)(H,49,63)(H,51,58)(H,52,60)(H,53,67)(H,54,66)(H,55,68)(H,56,65)(H,57,64)(H,61,62)(H,69,70)(H4,45,46,48)/t25-,26-,27+,28-,29-,30-,31-/m0/s1 | PDB
KEGG
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| CHEMBL
KEGG
PC cid
PC sid
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| PubMed
| 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [125I]-C5a anaphylatoxin chemotactic receptor to polymorphonuclear leukocyte (PMNL) membrane receptor |
J Med Chem 35: 220-3 (1992)
BindingDB Entry DOI: 10.7270/Q21G0K7X |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008378
(CHEMBL129978 | H-His(1Me)-Lys-AspMet-GIn-Leu-Gly-A...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cncn1C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C41H71N15O12S/c1-22(2)16-29(35(62)49-20-32(58)50-28(40(67)68)9-7-14-48-41(45)46)54-37(64)26(10-11-31(44)57)52-38(65)27(12-15-69-4)53-39(66)30(18-33(59)60)55-36(63)25(8-5-6-13-42)51-34(61)24(43)17-23-19-47-21-56(23)3/h19,21-22,24-30H,5-18,20,42-43H2,1-4H3,(H2,44,57)(H,49,62)(H,50,58)(H,51,61)(H,52,65)(H,53,66)(H,54,64)(H,55,63)(H,59,60)(H,67,68)(H4,45,46,48)/t24-,25-,26-,27-,28-,29-,30-/m0/s1 | PDB
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PC cid
PC sid
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| 1.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-rC5a binding to C5a anaphylatoxin chemotactic receptor in human polymorphonuclear leukocyte (PMNL) membranes |
J Med Chem 35: 402-6 (1992)
BindingDB Entry DOI: 10.7270/Q2HH6J1S |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008226
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)Show SMILES CCCC[C@H](NC(=O)[C@H](CCCC)NC(=O)[C@H](CCCC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:24.24,41.41,8.8,wD:16.16,32.32,4.3,59.60,(27.54,-15.73,;26.18,-14.99,;26.15,-13.44,;24.8,-12.7,;24.76,-11.16,;23.42,-10.42,;22.1,-11.22,;22.13,-12.75,;20.75,-10.48,;20.72,-8.94,;22.04,-8.15,;22,-6.6,;20.65,-5.86,;19.43,-11.27,;18.08,-10.53,;18.06,-9,;16.77,-11.33,;16.8,-12.88,;18.16,-13.62,;18.19,-15.16,;19.54,-15.9,;15.42,-10.59,;14.1,-11.38,;14.14,-12.93,;12.75,-10.64,;12.72,-9.11,;14.04,-8.31,;15.38,-9.05,;14.01,-6.78,;11.44,-11.45,;10.09,-10.7,;10.05,-9.16,;8.78,-11.51,;8.81,-13.04,;10.16,-13.79,;10.18,-15.32,;11.53,-16.06,;11.57,-17.6,;7.43,-10.77,;6.11,-11.56,;6.14,-13.1,;4.76,-10.82,;4.72,-9.28,;6.04,-8.48,;7.46,-9.08,;8.46,-7.92,;7.67,-6.59,;6.17,-6.94,;3.45,-11.62,;2.1,-10.88,;.78,-11.67,;2.06,-9.34,;26.09,-10.37,;26.06,-8.83,;27.44,-11.11,;28.75,-10.31,;30.1,-11.05,;30.13,-12.59,;31.41,-10.26,;32.76,-11,;32.79,-12.53,;34.14,-13.27,;34.18,-14.81,;35.53,-15.56,;35.56,-17.09,;36.91,-17.83,;34.24,-17.9,;34.08,-10.2,;35.43,-10.94,;34.05,-8.66,)| Show InChI InChI=1S/C44H76N14O12/c1-5-8-14-28(37(63)50-24-35(60)53-32(43(69)70)18-13-20-49-44(46)47)54-38(64)29(15-9-6-2)55-39(65)30(16-10-7-3)56-42(68)34(22-36(61)62)58-40(66)31(17-11-12-19-45)57-41(67)33(52-26(4)59)21-27-23-48-25-51-27/h23,25,28-34H,5-22,24,45H2,1-4H3,(H,48,51)(H,50,63)(H,52,59)(H,53,60)(H,54,64)(H,55,65)(H,56,68)(H,57,67)(H,58,66)(H,61,62)(H,69,70)(H4,46,47,49)/t28-,29-,30-,31-,32-,33-,34-/m0/s1 | PDB
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PC cid
PC sid
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| PubMed
| 2.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [125I]-C5a anaphylatoxin chemotactic receptor to polymorphonuclear leukocyte (PMNL) membrane receptor |
J Med Chem 35: 220-3 (1992)
BindingDB Entry DOI: 10.7270/Q21G0K7X |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008376
(2-[2-(2-{2-[2-(2-{6-Amino-2-[2-amino-3-(3H-imidazo...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C40H69N15O12S/c1-21(2)15-28(34(61)48-19-31(57)50-27(39(66)67)8-6-13-47-40(44)45)54-36(63)25(9-10-30(43)56)52-37(64)26(11-14-68-3)53-38(65)29(17-32(58)59)55-35(62)24(7-4-5-12-41)51-33(60)23(42)16-22-18-46-20-49-22/h18,20-21,23-29H,4-17,19,41-42H2,1-3H3,(H2,43,56)(H,46,49)(H,48,61)(H,50,57)(H,51,60)(H,52,64)(H,53,65)(H,54,63)(H,55,62)(H,58,59)(H,66,67)(H4,44,45,47)/t23-,24-,25-,26-,27-,28-,29-/m0/s1 | PDB
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KEGG
PC cid
PC sid
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| PubMed
| 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against [125I]-rC5a binding to C5a anaphylatoxin chemotactic receptor in human polymorphonuclear leukocyte (PMNL) membranes |
J Med Chem 35: 402-6 (1992)
BindingDB Entry DOI: 10.7270/Q2HH6J1S |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50012293
(CHEMBL409278 | Ser-Gln-Leu-Alr-Ala-Asn-Ile-Ser-His...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C76H132N28O24S/c1-9-38(6)59(104-71(124)51(29-56(81)109)98-60(113)39(7)91-63(116)43(15-12-23-87-75(82)83)95-68(121)49(27-37(4)5)100-65(118)44(17-19-54(79)107)93-61(114)41(78)33-105)73(126)103-53(34-106)72(125)101-50(28-40-31-86-35-90-40)69(122)94-42(14-10-11-22-77)64(117)102-52(30-58(111)112)70(123)97-46(21-25-129-8)67(120)96-45(18-20-55(80)108)66(119)99-48(26-36(2)3)62(115)89-32-57(110)92-47(74(127)128)16-13-24-88-76(84)85/h31,35-39,41-53,59,105-106H,9-30,32-34,77-78H2,1-8H3,(H2,79,107)(H2,80,108)(H2,81,109)(H,86,90)(H,89,115)(H,91,116)(H,92,110)(H,93,114)(H,94,122)(H,95,121)(H,96,120)(H,97,123)(H,98,113)(H,99,119)(H,100,118)(H,101,125)(H,102,117)(H,103,126)(H,104,124)(H,111,112)(H,127,128)(H4,82,83,87)(H4,84,85,88)/t38-,39-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,59-/m0/s1 | PDB
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antibodypedia
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KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibition of [125I]-C5a anaphylatoxin chemotactic receptor binding to PMNL membranes at a concentration of 0.1-1 mM |
J Med Chem 34: 2068-71 (1991)
BindingDB Entry DOI: 10.7270/Q21Z43C8 |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50012295
(CHEMBL217378 | ISHKDMQLGR | Ile-Ser-His-Lys-Asp-Me...)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C49H85N17O15S/c1-6-26(4)39(52)47(79)66-35(23-67)46(78)64-33(19-27-21-55-24-58-27)44(76)60-28(10-7-8-15-50)41(73)65-34(20-38(70)71)45(77)62-30(14-17-82-5)43(75)61-29(12-13-36(51)68)42(74)63-32(18-25(2)3)40(72)57-22-37(69)59-31(48(80)81)11-9-16-56-49(53)54/h21,24-26,28-35,39,67H,6-20,22-23,50,52H2,1-5H3,(H2,51,68)(H,55,58)(H,57,72)(H,59,69)(H,60,76)(H,61,75)(H,62,77)(H,63,74)(H,64,78)(H,65,73)(H,66,79)(H,70,71)(H,80,81)(H4,53,54,56)/t26-,28-,29-,30-,31-,32-,33-,34-,35-,39-/m0/s1 | PDB
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KEGG
PC cid
PC sid
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| PubMed
| 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-C5a binding to C5a anaphylatoxin chemotactic receptor in PMNL membranes |
J Med Chem 34: 2068-71 (1991)
BindingDB Entry DOI: 10.7270/Q21Z43C8 |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008376
(2-[2-(2-{2-[2-(2-{6-Amino-2-[2-amino-3-(3H-imidazo...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C40H69N15O12S/c1-21(2)15-28(34(61)48-19-31(57)50-27(39(66)67)8-6-13-47-40(44)45)54-36(63)25(9-10-30(43)56)52-37(64)26(11-14-68-3)53-38(65)29(17-32(58)59)55-35(62)24(7-4-5-12-41)51-33(60)23(42)16-22-18-46-20-49-22/h18,20-21,23-29H,4-17,19,41-42H2,1-3H3,(H2,43,56)(H,46,49)(H,48,61)(H,50,57)(H,51,60)(H,52,64)(H,53,65)(H,54,63)(H,55,62)(H,58,59)(H,66,67)(H4,44,45,47)/t23-,24-,25-,26-,27-,28-,29-/m0/s1 | PDB
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KEGG
PC cid
PC sid
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| 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-C5a binding to C5a anaphylatoxin chemotactic receptor in PMNL membranes |
J Med Chem 34: 2068-71 (1991)
BindingDB Entry DOI: 10.7270/Q21Z43C8 |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008229
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CC(O)=O)NC(=O)C(CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:30.32,47.49,19.20,wD:8.8,4.3,66.69,61.64,(26.03,-14.93,;26,-13.39,;27.31,-12.59,;24.65,-12.65,;24.61,-11.11,;23.26,-10.37,;21.94,-11.17,;21.98,-12.71,;20.59,-10.43,;20.57,-8.89,;21.88,-8.09,;21.85,-6.55,;23.16,-5.74,;24.52,-6.49,;24.55,-8.03,;23.23,-8.83,;19.28,-11.22,;17.93,-10.48,;17.89,-8.95,;16.61,-11.28,;16.65,-12.82,;17.99,-13.56,;19.31,-12.76,;20.67,-13.5,;20.7,-15.05,;19.37,-15.85,;18.03,-15.11,;15.26,-10.54,;13.95,-11.34,;13.98,-12.87,;12.59,-10.59,;12.56,-9.06,;13.87,-8.26,;15.22,-9,;13.85,-6.72,;11.28,-11.39,;9.93,-10.65,;9.89,-9.11,;8.61,-11.45,;8.64,-13,;10,-13.74,;10.02,-15.28,;11.37,-16.02,;11.41,-17.56,;7.26,-10.71,;5.94,-11.5,;5.98,-13.05,;4.6,-10.76,;4.56,-9.23,;5.87,-8.43,;7.3,-9.02,;8.3,-7.85,;7.5,-6.54,;6,-6.89,;3.28,-11.57,;1.93,-10.82,;.61,-11.63,;1.89,-9.28,;25.92,-10.32,;25.9,-8.77,;27.27,-11.06,;28.6,-10.26,;28.56,-8.72,;29.94,-11,;29.98,-12.54,;31.27,-10.2,;32.62,-10.95,;32.64,-12.48,;33.99,-13.22,;34.03,-14.76,;35.38,-15.5,;35.41,-17.05,;36.76,-17.79,;34.1,-17.85,;33.93,-10.14,;35.28,-10.88,;33.9,-8.61,)| Show InChI InChI=1S/C51H86N14O12/c1-29(2)22-37(45(71)58-30(3)43(69)61-36(50(76)77)19-13-21-56-51(53)54)62-46(72)38(23-32-14-7-5-8-15-32)63-47(73)39(24-33-16-9-6-10-17-33)64-49(75)41(26-42(67)68)65-44(70)35(18-11-12-20-52)60-48(74)40(59-31(4)66)25-34-27-55-28-57-34/h27-30,32-33,35-41H,5-26,52H2,1-4H3,(H,55,57)(H,58,71)(H,59,66)(H,60,74)(H,61,69)(H,62,72)(H,63,73)(H,64,75)(H,65,70)(H,67,68)(H,76,77)(H4,53,54,56)/t30-,35?,36-,37-,38+,39+,40-,41-/m0/s1 | PDB
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PC cid
PC sid
UniChem
Similars
| PubMed
| 6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [125I]-C5a anaphylatoxin chemotactic receptor to polymorphonuclear leukocyte (PMNL) membrane receptor |
J Med Chem 35: 220-3 (1992)
BindingDB Entry DOI: 10.7270/Q21G0K7X |
More data for this
Ligand-Target Pair | |
C5a anaphylatoxin chemotactic receptor 1
(Homo sapiens (Human)) | BDBM50008227
(2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-...)Show SMILES C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:38.41,55.58,16.17,wD:27.29,5.5,46.49,69.73,1.0,(28.72,-8.78,;28.75,-10.31,;27.44,-11.11,;26.09,-10.37,;26.06,-8.83,;24.76,-11.16,;24.8,-12.7,;26.15,-13.44,;26.18,-14.99,;27.54,-15.73,;28.85,-14.93,;28.81,-13.38,;27.46,-12.64,;23.42,-10.42,;22.1,-11.22,;22.13,-12.75,;20.75,-10.48,;20.72,-8.94,;22.04,-8.15,;22,-6.6,;23.32,-5.81,;24.67,-6.55,;24.7,-8.09,;23.38,-8.89,;19.43,-11.27,;18.08,-10.53,;18.06,-9,;16.77,-11.33,;16.8,-12.88,;18.16,-13.62,;19.47,-12.82,;20.82,-13.56,;20.85,-15.1,;19.54,-15.9,;18.19,-15.16,;15.42,-10.59,;14.1,-11.38,;14.14,-12.93,;12.75,-10.64,;12.72,-9.11,;14.04,-8.31,;15.38,-9.05,;14.01,-6.78,;11.44,-11.45,;10.09,-10.7,;10.05,-9.16,;8.78,-11.51,;8.81,-13.04,;10.16,-13.79,;10.18,-15.32,;11.53,-16.06,;11.57,-17.6,;7.43,-10.77,;6.11,-11.56,;6.14,-13.1,;4.76,-10.82,;4.72,-9.28,;6.04,-8.48,;7.46,-9.08,;8.46,-7.92,;7.67,-6.59,;6.17,-6.94,;3.45,-11.62,;2.1,-10.88,;.78,-11.67,;2.06,-9.34,;30.1,-11.05,;30.13,-12.59,;31.41,-10.26,;32.76,-11,;32.79,-12.53,;34.14,-13.27,;34.18,-14.81,;35.53,-15.56,;35.56,-17.09,;36.91,-17.83,;34.24,-17.9,;34.08,-10.2,;35.43,-10.94,;34.05,-8.66,)| Show InChI InChI=1S/C54H72N14O12/c1-32(46(72)64-39(53(79)80)22-14-24-59-54(56)57)61-48(74)40(25-34-15-6-3-7-16-34)65-49(75)41(26-35-17-8-4-9-18-35)66-50(76)42(27-36-19-10-5-11-20-36)67-52(78)44(29-45(70)71)68-47(73)38(21-12-13-23-55)63-51(77)43(62-33(2)69)28-37-30-58-31-60-37/h3-11,15-20,30-32,38-44H,12-14,21-29,55H2,1-2H3,(H,58,60)(H,61,74)(H,62,69)(H,63,77)(H,64,72)(H,65,75)(H,66,76)(H,67,78)(H,68,73)(H,70,71)(H,79,80)(H4,56,57,59)/t32-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
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PC cid
PC sid
UniChem
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| PubMed
| 7.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Ability to inhibit the binding of [125I]-C5a anaphylatoxin chemotactic receptor to polymorphonuclear leukocyte (PMNL) membrane receptor |
J Med Chem 35: 220-3 (1992)
BindingDB Entry DOI: 10.7270/Q21G0K7X |
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Ligand-Target Pair | |
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